# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2NiPd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-08-31 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 4.621223681e+06 4.621223681e+06 0.88 4.220965592e+06 4.220965592e+06 0.90 3.856008261e+06 3.856008261e+06 0.92 3.522592239e+06 3.522592239e+06 0.94 3.217424085e+06 3.217424085e+06 0.96 2.937611258e+06 2.937611258e+06 0.98 2.680613233e+06 2.680613233e+06 1.00 2.444180612e+06 2.444180612e+06 1.02 2.226343307e+06 2.226343307e+06 1.04 2.025345207e+06 2.025345207e+06 1.06 1.839626815e+06 1.839626815e+06 1.08 1.667812270e+06 1.667812270e+06 1.10 1.508630201e+06 1.508630201e+06 1.12 1.360969897e+06 1.360969897e+06 1.14 1.223835455e+06 1.223835455e+06 1.16 1.096309068e+06 1.096309068e+06 1.18 9.775966211e+05 9.775966211e+05 1.20 8.669759368e+05 8.669759368e+05 1.22 7.637862140e+05 7.637862140e+05 1.24 6.674328072e+05 6.674328072e+05 1.26 5.773906537e+05 5.773906537e+05 1.28 4.931809686e+05 4.931809686e+05 1.30 4.143518367e+05 4.143518367e+05 1.32 3.404868928e+05 3.404868928e+05 1.34 2.724650493e+05 2.724650493e+05 1.36 2.169939810e+05 2.169939810e+05 1.38 1.730548141e+05 1.730548141e+05 1.40 1.381903972e+05 1.381903972e+05 1.42 1.104832343e+05 1.104832343e+05 1.44 8.842794786e+04 8.842794786e+04 1.46 7.084710282e+04 7.084710282e+04 1.48 5.681575415e+04 5.681575415e+04 1.50 4.560264359e+04 4.560264359e+04 1.52 3.663101839e+04 3.663101839e+04 1.54 2.944576397e+04 2.944576397e+04 1.56 2.368530902e+04 2.368530902e+04 1.58 1.906196675e+04 1.906196675e+04 1.60 1.534779965e+04 1.534779965e+04 1.62 1.236201404e+04 1.236201404e+04 1.64 9.960004732e+03 9.960004732e+03 1.66 8.026157726e+03 8.026157726e+03 1.68 6.468253249e+03 6.468253249e+03 1.70 5.212800616e+03 5.212800616e+03 1.72 4.200832735e+03 4.200832735e+03 1.74 3.384857600e+03 3.384857600e+03 1.76 2.726773456e+03 2.726773456e+03 1.78 2.196012873e+03 2.196012873e+03 1.80 1.767932516e+03 1.767932516e+03 1.82 1.422643712e+03 1.422643712e+03 1.84 1.144180786e+03 1.144180786e+03 1.86 9.196636374e+02 9.196636374e+02 1.88 7.386934760e+02 7.386934760e+02 1.90 5.928474250e+02 5.928474250e+02 1.92 4.753447874e+02 4.753447874e+02 1.94 3.807221207e+02 3.807221207e+02 1.96 3.045591380e+02 3.045591380e+02 1.98 2.432935395e+02 2.432935395e+02 2.00 1.940439573e+02 1.940439573e+02 2.02 1.544742412e+02 1.544742412e+02 2.04 1.227067741e+02 1.227067741e+02 2.06 9.722521459e+01 9.722521459e+01 2.08 7.680379141e+01 7.680379141e+01 2.10 6.044885115e+01 6.044885115e+01 2.12 4.736138065e+01 4.736138065e+01 2.14 3.689819957e+01 3.689819957e+01 2.16 2.853966398e+01 2.853966398e+01 2.18 2.186875987e+01 2.186875987e+01 2.20 1.654875442e+01 1.654875442e+01 2.22 1.230900847e+01 1.230900847e+01 2.24 8.932896115e+00 8.932896115e+00 2.26 6.245895337e+00 6.245895337e+00 2.28 4.108354675e+00 4.108354675e+00 2.30 2.408567128e+00 2.408567128e+00 2.32 1.057084463e+00 1.057084463e+00 2.34 -1.758020898e-02 -1.758020898e-02 2.36 -8.724423926e-01 -8.724423926e-01 2.38 -1.552884928e+00 -1.552884928e+00 2.40 -2.094951164e+00 -2.094951164e+00 2.42 -2.527201158e+00 -2.527201158e+00 2.44 -2.872208601e+00 -2.872208601e+00 2.46 -3.147778827e+00 -3.147778827e+00 2.48 -3.367912259e+00 -3.367912259e+00 2.50 -3.543592977e+00 -3.543592977e+00 2.52 -3.683428759e+00 -3.683428759e+00 2.54 -3.794153398e+00 -3.794153398e+00 2.56 -3.881021664e+00 -3.881021664e+00 2.58 -3.948128984e+00 -3.948128984e+00 2.60 -3.998677387e+00 -3.998677387e+00 2.62 -4.035176274e+00 -4.035176274e+00 2.64 -4.059600192e+00 -4.059600192e+00 2.66 -4.073512994e+00 -4.073512994e+00 2.68 -4.078165096e+00 -4.078165096e+00 2.70 -4.074555799e+00 -4.074555799e+00 2.72 -4.063506354e+00 -4.063506354e+00 2.74 -4.045717646e+00 -4.045717646e+00 2.76 -4.021790399e+00 -4.021790399e+00 2.78 -3.992251012e+00 -3.992251012e+00 2.80 -3.957570822e+00 -3.957570822e+00 2.82 -3.918145584e+00 -3.918145584e+00 2.84 -3.874320729e+00 -3.874320729e+00 2.86 -3.826455043e+00 -3.826455043e+00 2.88 -3.774897552e+00 -3.774897552e+00 2.90 -3.719983126e+00 -3.719983126e+00 2.92 -3.662034619e+00 -3.662034619e+00 2.94 -3.601364113e+00 -3.601364113e+00 2.96 -3.538214792e+00 -3.538214792e+00 2.98 -3.472812141e+00 -3.472812141e+00 3.00 -3.405409632e+00 -3.405409632e+00 3.02 -3.336271045e+00 -3.336271045e+00 3.04 -3.265653621e+00 -3.265653621e+00 3.06 -3.193803571e+00 -3.193803571e+00 3.08 -3.120955846e+00 -3.120955846e+00 3.10 -3.047333915e+00 -3.047333915e+00 3.12 -2.973149602e+00 -2.973149602e+00 3.14 -2.898602976e+00 -2.898602976e+00 3.16 -2.823882300e+00 -2.823882300e+00 3.18 -2.749164050e+00 -2.749164050e+00 3.20 -2.674613003e+00 -2.674613003e+00 3.22 -2.600382384e+00 -2.600382384e+00 3.24 -2.526614063e+00 -2.526614063e+00 3.26 -2.453438819e+00 -2.453438819e+00 3.28 -2.380976634e+00 -2.380976634e+00 3.30 -2.309317600e+00 -2.309317600e+00 3.32 -2.238531810e+00 -2.238531810e+00 3.34 -2.168709751e+00 -2.168709751e+00 3.36 -2.099933050e+00 -2.099933050e+00 3.38 -2.032274553e+00 -2.032274553e+00 3.40 -1.965798762e+00 -1.965798762e+00 3.42 -1.900562272e+00 -1.900562272e+00 3.44 -1.836614209e+00 -1.836614209e+00 3.46 -1.773980175e+00 -1.773980175e+00 3.48 -1.712632370e+00 -1.712632370e+00 3.50 -1.652594961e+00 -1.652594961e+00 3.52 -1.593892950e+00 -1.593892950e+00 3.54 -1.536546183e+00 -1.536546183e+00 3.56 -1.480569711e+00 -1.480569711e+00 3.58 -1.425974147e+00 -1.425974147e+00 3.60 -1.372766005e+00 -1.372766005e+00 3.62 -1.320948025e+00 -1.320948025e+00 3.64 -1.270519485e+00 -1.270519485e+00 3.66 -1.221476496e+00 -1.221476496e+00 3.68 -1.173812288e+00 -1.173812288e+00 3.70 -1.127517473e+00 -1.127517473e+00 3.72 -1.082580297e+00 -1.082580297e+00 3.74 -1.038986882e+00 -1.038986882e+00 3.76 -9.967214437e-01 -9.967214437e-01 3.78 -9.557665066e-01 -9.557665066e-01 3.80 -9.161030960e-01 -9.161030960e-01 3.82 -8.777109230e-01 -8.777109230e-01 3.84 -8.405685545e-01 -8.405685545e-01 3.86 -8.046535712e-01 -8.046535712e-01 3.88 -7.699427153e-01 -7.699427153e-01 3.90 -7.364120258e-01 -7.364120258e-01 3.92 -7.040369639e-01 -7.040369639e-01 3.94 -6.727925288e-01 -6.727925288e-01 3.96 -6.426533636e-01 -6.426533636e-01 3.98 -6.135938526e-01 -6.135938526e-01 4.00 -5.855882097e-01 -5.855882097e-01 4.02 -5.586105600e-01 -5.586105600e-01 4.04 -5.326350131e-01 -5.326350131e-01 4.06 -5.076357296e-01 -5.076357296e-01 4.08 -4.835869814e-01 -4.835869814e-01 4.10 -4.604632059e-01 -4.604632059e-01 4.12 -4.382390545e-01 -4.382390545e-01 4.14 -4.168894357e-01 -4.168894357e-01 4.16 -3.963895537e-01 -3.963895537e-01 4.18 -3.767149424e-01 -3.767149424e-01 4.20 -3.578414948e-01 -3.578414948e-01 4.22 -3.397377668e-01 -3.397377668e-01 4.24 -3.223728085e-01 -3.223728085e-01 4.26 -3.057243752e-01 -3.057243752e-01 4.28 -2.897706438e-01 -2.897706438e-01 4.30 -2.744902256e-01 -2.744902256e-01 4.32 -2.598621767e-01 -2.598621767e-01 4.34 -2.458660079e-01 -2.458660079e-01 4.36 -2.324816906e-01 -2.324816906e-01 4.38 -2.196896628e-01 -2.196896628e-01 4.40 -2.074708313e-01 -2.074708313e-01 4.42 -1.958065741e-01 -1.958065741e-01 4.44 -1.846787406e-01 -1.846787406e-01 4.46 -1.740696502e-01 -1.740696502e-01 4.48 -1.639620907e-01 -1.639620907e-01 4.50 -1.543393149e-01 -1.543393149e-01 4.52 -1.451850367e-01 -1.451850367e-01 4.54 -1.364834261e-01 -1.364834261e-01 4.56 -1.282191039e-01 -1.282191039e-01 4.58 -1.203771353e-01 -1.203771353e-01 4.60 -1.129430233e-01 -1.129430233e-01 4.62 -1.059027017e-01 -1.059027017e-01 4.64 -9.924252709e-02 -9.924252709e-02 4.66 -9.293806914e-02 -9.293806914e-02 4.68 -8.696112255e-02 -8.696112255e-02 4.70 -8.130016613e-02 -8.130016613e-02 4.72 -7.594415941e-02 -7.594415941e-02 4.74 -7.088241192e-02 -7.088241192e-02 4.76 -6.610457489e-02 -6.610457489e-02 4.78 -6.160063274e-02 -6.160063274e-02 4.80 -5.736089459e-02 -5.736089459e-02 4.82 -5.337595743e-02 -5.337595743e-02 4.84 -4.963645353e-02 -4.963645353e-02 4.86 -4.613078053e-02 -4.613078053e-02 4.88 -4.283267610e-02 -4.283267610e-02 4.90 -3.971192778e-02 -3.971192778e-02 4.92 -3.675324727e-02 -3.675324727e-02 4.94 -3.395107224e-02 -3.395107224e-02 4.96 -3.130000713e-02 -3.130000713e-02 4.98 -2.879482217e-02 -2.879482217e-02 5.00 -2.643044979e-02 -2.643044979e-02 5.02 -2.420198243e-02 -2.420198243e-02 5.04 -2.210467015e-02 -2.210467015e-02 5.06 -2.013391749e-02 -2.013391749e-02 5.08 -1.828528003e-02 -1.828528003e-02 5.10 -1.655446082e-02 -1.655446082e-02 5.12 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-3.563293158e-06 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00